QUANTUM-CHEMICAL ASPECTS OF DIENE PHOSPHAALKENE CYCLOADDITIONS

Authors
PENKOVSKY V KHARCHENKO V ALEXEIKO L
Citation
V. Penkovsky et al., QUANTUM-CHEMICAL ASPECTS OF DIENE PHOSPHAALKENE CYCLOADDITIONS, Phosphorus, sulfur and silicon and the related elements, 77(1-4), 1993, pp. 633-636
Citations number
8
Categorie Soggetti
Chemistry Inorganic & Nuclear
Journal title
Phosphorus, sulfur and silicon and the related elements → ACNP
ISSN journal
10426507
Volume
77
Issue
1-4
Year of publication
1993
Pages
633 - 636
Database
ISI
SICI code
1042-6507(1993)77:1-4<633:QAODPC>2.0.ZU;2-M
Abstract
Cycloaddition of dienes to phosphaalkenes was considered in the frames of the frontier MO approach. Quantum-chemical MNDO and ab initio calc ulations of frontier MO energies and structure for phosphaalkenes and pi electronic transition state stabilization energies of reactive syst ems confirmed that halogen-substituted phosphaalkenes are effective wh ile diamino-substituted phosphaalkenes should not react with dienes. S atisfactory description was also obtained for regioselectivity of dien e-phosphaalkene cycloadditions.